4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride

C18H20FNO3S — CID 130224151

IUPAC4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H20FNO3S/c19-24(22,23)20-13-11-17(12-14-20)18(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2
InChIKeyHABYTLRSKCZEEW-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.85
Rot. Bonds4

About 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride

4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride (PubChem CID 130224151) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
PubChem CID130224151
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H20FNO3S/c19-24(22,23)20-13-11-17(12-14-20)18(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2
InChIKeyHABYTLRSKCZEEW-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
CID 175063377
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol
CID 14407073
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3805662
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3854256
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride?
The IUPAC name of 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride (CID 130224151) is 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride is O=S(=O)(F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride?
The InChIKey is HABYTLRSKCZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-24(22,23)20-13-11-17(12-14-20)18(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2.
What are the key properties of 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride?
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride has a molecular weight of 349.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride is sourced from PubChem (CID 130224151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).